TL;DR: 3-(2-(Dimethylamino)ethyl)-4(3H)-quinazolinone hydrochloride (CAS 1282097-49-7) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.09819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(dimethylamino)ethyl]quinazolin-4-one;hydrochloride
Also Known As: NIOSH/VA3314580, 3-(2-(dimethylamino)ethyl)quinazolin-4(3H)-one hydrochloride, 3-(2-dimethylaminoethyl)quinazolin-4-one hydrochloride, 3-(2-(Dimethylamino)ethyl)-4(3H)-quinazolinone hydrochloride, 4(3H)-Quinazolinone, 3-(2-(dimethylamino)ethyl)-, hydrochloride
| Molecular Formula | C12H16ClN3O |
| Molecular Weight | 253.09819 g/mol |
| XLogP | 1.3799 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.09819 Da |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
| SMILES | CN(C)CCN1C=NC2=CC=CC=C2C1=O.Cl |
| InChIKey | OVAWGIPSWXQWTK-UHFFFAOYSA-N |
The XLogP value of 1.3799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(Dimethylamino)ethyl)-4(3H)-quinazolinone hydrochloride. With a topological polar surface area (TPSA) of 35.9 Ų, 3-(2-(Dimethylamino)ethyl)-4(3H)-quinazolinone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(Dimethylamino)ethyl)-4(3H)-quinazolinone hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2-(Dimethylamino)ethyl)-4(3H)-quinazolinone hydrochloride is 1282097-49-7.
The molecular formula of 3-(2-(Dimethylamino)ethyl)-4(3H)-quinazolinone hydrochloride is C12H16ClN3O.
The molecular weight of 3-(2-(Dimethylamino)ethyl)-4(3H)-quinazolinone hydrochloride is 253.09819 g/mol.
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